Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as Solvent-Reference-Cited by-同舟云学术

Application of the Approximate 3D-Reference Interaction Site Model (RISM) Molecular Solvation Theory to Acetonitrile as Solvent

Published:2020-05-11 Issue:22 Volume:124 Page:4590-4597
ISSN:1520-6106
Container-title:The Journal of Physical Chemistry B
language:en
Short-container-title:J. Phys. Chem. B

Author:

Roy Dipankar¹^ORCID,Kovalenko Andriy¹²^ORCID

Affiliation:

1. Department of Mechanical Engineering, University of Alberta, 10-203 Donadeo Innovation Centre for Engineering, 9211-116 Street NW, Edmonton, Alberta T6G 1H9, Canada

2. Nanotechnology Research Centre, 11421 Saskatchewan Drive, Edmonton, Alberta T6G 2M9, Canada

Funder

Natural Sciences and Engineering Research Council of Canada

Alberta Prion Research Institute

Publisher

American Chemical Society (ACS)

Subject

Materials Chemistry,Surfaces, Coatings and Films,Physical and Theoretical Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jpcb.0c03230

Reference71 articles.

1. Grand Canonical Monte Carlo Simulations of Acetonitrile Filling of Silica Pores of Varying Hydrophilicity/Hydrophobicity

2. Influence of High pH on the Organization of Acetonitrile at the Silica/Water Interface Studied by Sum Frequency Generation Spectroscopy

3. Composition, Structure, and Mobility of Water−Acetonitrile Mixtures in a Silica Nanopore Studied by Molecular Dynamics Simulations

4. Dielectric and Transport Properties of Acetonitrile at Varying Temperatures: a Molecular Dynamics Study

5. Excess properties of the binary liquid system propylene carbonate + acetonitrile

Cited by 8 articles. 订阅此论文施引文献订阅此论文施引文献，注册后可以免费订阅5篇论文的施引文献，订阅后可以查看论文全部施引文献

1. Machine learning-assisted screening of metal-organic frameworks (MOFs) for the removal of heavy metals in aqueous solution;Separation and Purification Technology;2024-07

2. Identifying Systematic Force Field Errors Using a 3D-RISM Element Counting Correction;Molecules;2023-01-17

3. Structure and dynamics of acetonitrile: Molecular simulation and neutron scattering;Journal of Molecular Liquids;2022-02

4. A molecular solvation theory simulation of liquid alkyl esters of acetic acid with the 3D Reference Interaction Site Model;Journal of Molecular Liquids;2021-12

5. Filling behaviour of small molecules in the dense medium component of coal: molecular dynamics simulations based on a novel embedded structure model;Molecular Simulation;2021-07-22